SCHEMBL613045

SCHEMBL613045

CCCCC=Cc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.35
CYP2C9 P11712 8/20 0.35
TSHR P16473 8/20 0.35
CYP2C19 P33261 8/20 0.35
CYP3A4 P08684 7/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2D6 P10635 4/20 0.35
PDE5A O76074 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.32
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL613043 1.00 CYP1A2 (0.35) CYP1A2CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL676881 0.95 SOAT2 (0.37) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL676882 0.95 SOAT2 (0.37) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5209893 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5207243 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5206578 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5207912 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5204831 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5206585 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1
SCHEMBL5204821 0.93 SOAT2 (0.39) OXER1SOAT2SOAT1CYSLTR2CYSLTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
CN-101610995-A Novel glucagon receptor antagonists METABASIS THERAPEUTICS INC (US) 2009-12-23 CN claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
WO-2024099911-A1 IRON CARBONYL COMPLEXES WITH CHIRAL, BIDENTATE BIPHOSPHINE LIGANDS BASF SE (DE) 2024-05-16 WO disclosed
WO-2023137133-A2 PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES BASF SE (DE) 2023-07-20 WO disclosed
US-20230012337-A1 POLYESTERS CLARIANT INTERNATIONAL LTD. (CH) 2023-01-12 US disclosed
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
WO-2021116049-A1 POLYESTERS CLARIANT INTERNATIONAL LTD (CH) 2021-06-17 WO disclosed
WO-2021118814-A1 A DETERGENT COMPOSITION COMPRISING A POLYMER THE PROCTER & GAMBLE COMPANY (US) 2021-06-17 WO disclosed
EP-3835396-A1 A DETERGENT COMPOSITION COMPRISING A POLYMER The Procter & Gamble Company (US) 2021-06-16 EP disclosed
US-20210171874-A1 DETERGENT COMPOSITION COMPRISING A POLYMER THE PROCTER AND GAMBLE COMPANY 2021-06-10 US disclosed
WO-2003057235-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2003-07-17 WO disclosed
US-6590071-B1 Increasing the delivery of hydrophilic amine containing compounds to the cell having a mucosal barrier, in which a compound of given formula penetrates the mucosal barrier of the cell; free amine is liberated by hydrolysis UNIVERSITY OF SOUTHERN CALIFORNIA 2003-07-08 US disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed
EP-1137631-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-10-04 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
WO-2000034236-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-06-15 WO disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed